RDKit 3D 105108 0 0 0 0 0 0 0 0999 V2000 1.6083 3.6735 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 3.3255 -0.0778 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2423 4.3427 0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 4.8343 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 3.9758 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 4.7155 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 4.6392 1.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 3.5570 1.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 2.2290 1.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1186 1.3939 2.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7124 1.8102 0.0509 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8936 2.5441 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9239 0.3549 -0.1459 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3605 -0.3915 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0316 -1.6738 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 -2.4432 -0.0793 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4208 -3.6745 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 -1.5640 -1.1709 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3503 -1.2943 -2.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8141 -0.3423 -0.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 -2.2951 -1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 -2.0612 -3.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -3.2858 -1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -4.4114 -2.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5132 -3.1128 -0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -4.1794 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 -4.2997 1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 -2.9785 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5918 -1.8163 1.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -1.9223 -0.0052 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6862 -2.0885 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9243 -3.1323 -1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -1.1355 -0.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 0.1623 -0.6669 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2220 0.1972 -1.2285 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1962 -0.8501 -2.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 -0.2372 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 -0.2668 -0.4221 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1298 -1.1214 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5951 -1.5233 -1.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3441 -0.3950 -0.5653 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3219 0.7696 -1.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7672 -0.1733 0.8236 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5000 -0.8776 1.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3449 -0.6492 0.8720 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7083 0.0568 1.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 1.2228 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.9201 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 4.6626 -1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 2.9811 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 3.8787 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 3.4549 -0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 4.7070 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 5.8307 1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 3.6075 2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 3.0722 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4065 4.4612 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 5.7860 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2526 5.4569 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3357 3.7415 2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 2.1002 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7328 2.6689 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1878 1.9133 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5554 3.5082 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 0.2104 -0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4653 -0.8064 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0685 0.1356 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 -2.2307 1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7391 -1.4044 -0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 -2.6565 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5068 -3.8384 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8735 -4.5554 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3752 -3.5951 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0024 -1.0038 -2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 -5.1686 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2851 -3.9507 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 -4.9774 2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5888 -4.8770 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 -2.7822 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 -2.9715 3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 -0.8859 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.8259 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 -0.9972 -0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 0.4996 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 1.2049 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 -0.7968 -2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 -1.8679 -1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -0.5899 -3.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9564 0.4390 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8495 -1.2511 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 0.7849 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -2.0543 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -0.5263 -2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5503 -2.3661 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0974 -1.7939 -2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3895 -0.7079 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1177 1.3361 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 0.9085 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3523 -1.8303 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 -1.7425 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 -0.6253 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 1.9020 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 0.6622 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 1.9608 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 1.2765 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 6 18 20 1 0 18 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 34 47 1 0 47 48 1 0 48 2 1 0 20 13 1 0 30 25 1 0 45 38 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 6 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 11 61 1 6 12 62 1 0 12 63 1 0 12 64 1 0 13 65 1 6 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 1 17 71 1 0 17 72 1 0 17 73 1 0 19 74 1 0 26 75 1 0 26 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 29 82 1 0 30 83 1 6 34 84 1 6 35 85 1 6 36 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 6 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 1 42 97 1 0 43 98 1 1 44 99 1 0 45100 1 1 46101 1 0 47102 1 0 47103 1 0 48104 1 0 48105 1 0 M END